Geometry & MOs

Info

ID:	180243
PubChem CID:	76603395
Reduced:	ClN3O5C29H30 (1)
Stoich.:	AB3C5D29E30 (1)
Weight, g/mol:	524.266856
ΔH_f, kcal/mol:	-111.17
Dipole, Da:	2.88
IP(EA), eV:	-8.85(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-methyl-8-pent-1-enyl-4,11-di(propan-2-yl)-9-oxa-16-thia-2,5,12,19-tetrazabicyclo[12.3.2]nonadecane-3,6,10,13,18-pentone

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CN(C=N1)CCC2C3=CC=CN3C4=C(C=C(C=C4)Cl)C(O2)C5=C(C(=CC=C5)OC)OC

DOS

IR

Vibrations